O2-ethyl O4-propan-2-yl 5-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propan-2-yl 5-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 5-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propan-2-yl ester IUPAC Name: 2-O-ethyl 4-O-propan-2-yl 5-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-isopropyl ester Formula: C19H24N4O8S MolecularWeight: 468.48086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCN2C=C(C(=N2)OC)[N+](=O)[O-])C(=O)OC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCN2C=C(C(=N2)OC)[N+](=O)[O-])C(=O)OC(C)C)C

InChI

InChI=1S/C19H24N4O8S/c1-6-30-19(26)15-11(4)14(18(25)31-10(2)3)17(32-15)20-13(24)7-8-22-9-12(23(27)28)16(21-22)29-5/h9-10H,6-8H2,1-5H3,(H,20,24)